orbital_charges     :real:2:4,10
  0.129402774544303E+001  0.972909197868620E+000  0.968860641245309E+000
  0.110169210941215E+001  0.102185105876028E+001  0.726018774830795E+000
  0.729005338781664E+000  0.776371772783216E+000  0.179330383884147E+001
  0.153529633146804E+001  0.167859646527948E+001  0.177328918503473E+001
  0.178571422615233E+001  0.149334675312520E+001  0.160587213857176E+001
  0.184341421850976E+001  0.949571412642949E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.950137257314373E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.950137257314372E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.587127480378811E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.178152180578092E+001
  0.135948148623734E+001  0.199999321460746E+001  0.165310148576848E+001
  0.669358803847481E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000
forces              :real:2:3,10
  0.506639045201868E-002 -0.389723006466542E-003 -0.411996825544492E-016
 -0.123412784602045E-001 -0.412393874228294E-002  0.224213009270002E-015
  0.551692285219607E-002  0.444383615156504E-002 -0.546437894932694E-016
  0.919210548472715E-003  0.551679421216533E-003 -0.161654543917589E-015
  0.105889312446586E-002  0.443229153527708E-003 -0.219686465199875E-016
  0.963237102281644E-003 -0.228711249505825E-003 -0.560430456761588E-003
  0.963237102281685E-003 -0.228711249505756E-003  0.560430456761643E-003
 -0.631075186441343E-003 -0.164626098922341E-002 -0.777915058758349E-017
 -0.295446759324169E-002  0.566628124508961E-002  0.281350463759988E-016
  0.143893005817110E-002 -0.448768073441425E-002 -0.119634933470197E-016
mermin_energy       :real:0:
 -0.153754881374687E+002
end_coords          :real:2:3,10
 -0.671958196751577E+000 -0.470271540339785E-001  0.000000000000000E+000
  0.232855381127695E+001 -0.237795824060456E+000  0.000000000000000E+000
  0.349313938475840E+001  0.188878358222842E+001  0.000000000000000E+000
  0.327128630958962E+001 -0.242397743369349E+001  0.000000000000000E+000
 -0.156694491603134E+001 -0.191975592661959E+001  0.000000000000000E+000
 -0.135142684488312E+001  0.983302798794360E+000  0.167187115786227E+001
 -0.135142684488312E+001  0.983302798794360E+000 -0.167187115786227E+001
  0.674511603955974E+001  0.187744414915313E+001  0.000000000000000E+000
  0.850261474487540E+001  0.260687743588160E+001  0.000000000000000E+000
  0.819104590794681E+001  0.441466734334227E+001  0.000000000000000E+000
